
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  101 (  798),  selected   87 , name one
# Molecule2: number of CA atoms   87 (  706),  selected   87 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    78      15_A - 92_A        4.64    14.12
  LCS_AVERAGE:     82.64

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    74      15_A - 88_A        1.56    14.61
  LCS_AVERAGE:     74.92

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    38      15_A - 52_A        0.93    14.49
  LCS_AVERAGE:     35.21

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   87
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     K    15_A     K    15_A     38   74   78     14   47   61   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    16_A     L    16_A     38   74   78     22   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    17_A     I    17_A     38   74   78     22   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    18_A     I    18_A     38   74   78     35   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    19_A     K    19_A     38   74   78     35   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     A    20_A     A    20_A     38   74   78     31   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Q    21_A     Q    21_A     38   74   78     28   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    22_A     L    22_A     38   74   78     27   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     G    23_A     G    23_A     38   74   78     27   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    24_A     E    24_A     38   74   78     27   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    25_A     D    25_A     38   74   78     35   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    26_A     I    26_A     38   74   78     35   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    27_A     R    27_A     38   74   78     35   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    28_A     R    28_A     38   74   78     35   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    29_A     I    29_A     38   74   78     35   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     P    30_A     P    30_A     38   74   78     35   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    31_A     I    31_A     38   74   78     35   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     H    32_A     H    32_A     38   74   78     35   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     N    33_A     N    33_A     38   74   78     35   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    34_A     E    34_A     38   74   78     23   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    35_A     D    35_A     38   74   78      4   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    36_A     I    36_A     38   74   78     21   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     T    37_A     T    37_A     38   74   78     21   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Y    38_A     Y    38_A     38   74   78     21   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    39_A     D    39_A     38   74   78     21   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    40_A     E    40_A     38   74   78     35   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    41_A     L    41_A     38   74   78     35   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     V    42_A     V    42_A     38   74   78     35   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    43_A     L    43_A     38   74   78     35   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     M    44_A     M    44_A     38   74   78     35   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     M    45_A     M    45_A     38   74   78     35   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Q    46_A     Q    46_A     38   74   78     31   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    47_A     R    47_A     38   74   78     35   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     V    48_A     V    48_A     38   74   78     35   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     F    49_A     F    49_A     38   74   78     31   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    50_A     R    50_A     38   74   78     22   58   61   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     G    51_A     G    51_A     38   74   78      3    4   27   55   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    52_A     K    52_A     38   74   78      4   33   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    53_A     L    53_A     15   74   78      6   16   55   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    54_A     L    54_A     15   74   78      6    9   34   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    55_A     S    55_A     15   74   78      6   16   43   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     N    56_A     N    56_A     31   74   78     11   36   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    57_A     D    57_A     31   74   78     11   39   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    58_A     E    58_A     31   74   78      7   46   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     V    59_A     V    59_A     31   74   78      6   46   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     T    60_A     T    60_A     31   74   78     24   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    61_A     I    61_A     31   74   78     35   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    62_A     K    62_A     31   74   78     35   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Y    63_A     Y    63_A     31   74   78     35   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    64_A     K    64_A     31   74   78     35   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     A    65_A     A    65_A     31   74   78     24   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    66_A     E    66_A     31   74   78      3   30   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    67_A     R    67_A     31   74   78      5   13   17   67   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     G    68_A     G    68_A     31   74   78      7   33   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    69_A     D    69_A     31   74   78      7   44   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    70_A     L    70_A     31   74   78     24   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    71_A     I    71_A     31   74   78     35   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     T    72_A     T    72_A     31   74   78     35   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    73_A     I    73_A     31   74   78     35   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     F    74_A     F    74_A     31   74   78     35   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    75_A     D    75_A     31   74   78     35   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    76_A     S    76_A     31   74   78     35   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    77_A     S    77_A     31   74   78     35   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    78_A     D    78_A     31   74   78     35   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    79_A     L    79_A     31   74   78     35   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    80_A     S    80_A     31   74   78     32   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     F    81_A     F    81_A     31   74   78     35   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     A    82_A     A    82_A     31   74   78     35   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    83_A     I    83_A     31   74   78     35   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Q    84_A     Q    84_A     31   74   78     35   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     C    85_A     C    85_A     31   74   78     35   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    86_A     S    86_A     31   74   78     20   58   62   68   71   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    87_A     R    87_A     30   74   78      4    9   20   36   58   71   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    88_A     I    88_A     14   74   78      9   13   14   14   14   16   28   33   47   61   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    89_A     L    89_A     14   15   78      8   13   14   14   14   14   15   15   16   16   18   20   27   33   45   62   74   75   75   76 
LCS_GDT     K    90_A     K    90_A     14   15   78      8   13   14   14   14   14   15   15   16   16   18   20   27   31   38   46   56   65   73   76 
LCS_GDT     L    91_A     L    91_A     14   15   78      9   13   14   14   14   14   15   15   16   16   18   20   20   22   22   24   25   26   29   31 
LCS_GDT     T    92_A     T    92_A     14   15   78      9   13   14   14   14   14   15   15   16   16   18   20   20   22   22   24   25   26   29   30 
LCS_GDT     L    93_A     L    93_A     14   15   19      9   13   14   14   14   14   15   15   16   16   18   20   20   22   22   24   25   26   29   30 
LCS_GDT     F    94_A     F    94_A     14   15   19      9   13   14   14   14   14   15   15   16   16   18   20   20   22   22   24   25   26   29   30 
LCS_GDT     V    95_A     V    95_A     14   15   19      9   13   14   14   14   14   15   15   16   16   18   20   20   22   22   24   25   25   29   30 
LCS_GDT     N    96_A     N    96_A     14   15   19      9   13   14   14   14   14   15   15   16   16   18   20   20   22   22   22   25   25   29   30 
LCS_GDT     G    97_A     G    97_A     14   15   19      9   13   14   14   14   14   15   15   16   16   18   20   20   22   22   24   25   25   29   30 
LCS_GDT     Q    98_A     Q    98_A     14   15   19      9   13   14   14   14   14   15   15   16   16   18   20   20   22   22   24   25   26   29   30 
LCS_GDT     P    99_A     P    99_A     14   15   19      3   13   14   14   14   14   15   15   16   16   18   20   20   22   22   24   25   26   29   30 
LCS_GDT     R   100_A     R   100_A     14   15   19      3   13   14   14   14   14   15   15   16   16   18   20   20   22   22   24   25   26   29   30 
LCS_GDT     P   101_A     P   101_A      3   15   19      3    3    3    6   10   11   14   15   16   16   18   20   20   22   22   24   25   26   29   30 
LCS_AVERAGE  LCS_A:  64.26  (  35.21   74.92   82.64 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     35     58     62     68     71     72     73     73     73     73     73     74     74     74     74     74     74     75     75     76 
GDT PERCENT_AT  40.23  66.67  71.26  78.16  81.61  82.76  83.91  83.91  83.91  83.91  83.91  85.06  85.06  85.06  85.06  85.06  85.06  86.21  86.21  87.36
GDT RMS_LOCAL    0.35   0.56   0.71   0.91   1.07   1.14   1.23   1.23   1.23   1.23   1.23   1.56   1.56   1.56   1.56   1.56   1.56   2.11   2.11   2.70
GDT RMS_ALL_AT  14.75  14.73  14.76  14.68  14.67  14.64  14.64  14.64  14.64  14.64  14.64  14.61  14.61  14.61  14.61  14.61  14.61  14.54  14.54  14.45

# Checking swapping
#   possible swapping detected:  F    49_A      F    49_A
#   possible swapping detected:  Y    63_A      Y    63_A
#   possible swapping detected:  E    66_A      E    66_A
#   possible swapping detected:  F    74_A      F    74_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    15_A      K    15_A     1.618     0    0.262   1.284     7.993   65.119   50.529
LGA    L    16_A      L    16_A     0.977     0    0.014   0.081     1.249   90.476   88.214
LGA    I    17_A      I    17_A     0.691     0    0.020   0.671     2.862   90.476   85.179
LGA    I    18_A      I    18_A     0.341     0    0.025   0.628     2.038  100.000   95.595
LGA    K    19_A      K    19_A     0.310     0    0.035   0.713     3.664   97.619   81.058
LGA    A    20_A      A    20_A     0.372     0    0.015   0.016     0.641  100.000   98.095
LGA    Q    21_A      Q    21_A     0.336     0    0.029   0.128     0.609   97.619   97.884
LGA    L    22_A      L    22_A     0.573     0    0.017   0.046     1.192   97.619   91.786
LGA    G    23_A      G    23_A     0.672     0    0.019   0.019     0.672   95.238   95.238
LGA    E    24_A      E    24_A     0.364     0    0.059   0.720     2.217   97.619   90.847
LGA    D    25_A      D    25_A     0.339     0    0.069   0.161     1.244  100.000   94.107
LGA    I    26_A      I    26_A     0.655     0    0.024   0.070     1.082   88.214   89.345
LGA    R    27_A      R    27_A     1.034     0    0.067   0.168     2.323   90.595   77.879
LGA    R    28_A      R    28_A     0.571     0    0.060   0.928     2.484   95.238   82.727
LGA    I    29_A      I    29_A     0.382     0    0.055   0.176     0.669  100.000   97.619
LGA    P    30_A      P    30_A     0.504     0    0.072   0.088     0.654   95.238   93.197
LGA    I    31_A      I    31_A     0.250     0    0.058   0.600     1.818  100.000   95.417
LGA    H    32_A      H    32_A     0.391     0    0.058   0.875     2.674  100.000   83.952
LGA    N    33_A      N    33_A     0.506     0    0.031   0.807     4.124   95.238   78.810
LGA    E    34_A      E    34_A     0.919     0    0.038   0.472     3.833   83.810   71.905
LGA    D    35_A      D    35_A     1.050     0    0.261   1.208     4.378   81.548   72.798
LGA    I    36_A      I    36_A     1.222     0    0.032   1.192     3.192   79.286   72.321
LGA    T    37_A      T    37_A     1.294     0    0.026   0.101     1.389   81.429   82.721
LGA    Y    38_A      Y    38_A     1.398     0    0.021   0.145     1.893   81.429   77.143
LGA    D    39_A      D    39_A     1.314     0    0.022   0.117     1.745   81.429   80.357
LGA    E    40_A      E    40_A     0.958     0    0.024   0.208     1.190   88.214   87.460
LGA    L    41_A      L    41_A     0.836     0    0.035   0.116     1.014   90.476   88.214
LGA    V    42_A      V    42_A     1.149     0    0.023   0.051     1.468   81.429   81.429
LGA    L    43_A      L    43_A     0.956     0    0.016   0.075     0.976   90.476   90.476
LGA    M    44_A      M    44_A     0.743     0    0.088   1.021     4.840   90.476   73.036
LGA    M    45_A      M    45_A     0.984     0    0.045   0.958     3.324   85.952   77.679
LGA    Q    46_A      Q    46_A     1.099     0    0.016   0.245     1.516   81.429   81.481
LGA    R    47_A      R    47_A     0.933     0    0.058   1.203     4.886   88.214   76.494
LGA    V    48_A      V    48_A     0.665     0    0.090   1.231     3.020   90.476   82.381
LGA    F    49_A      F    49_A     1.187     0    0.096   0.079     2.096   77.381   86.623
LGA    R    50_A      R    50_A     1.706     0    0.524   1.607     4.351   75.119   66.364
LGA    G    51_A      G    51_A     3.507     0    0.052   0.052     4.433   48.810   48.810
LGA    K    52_A      K    52_A     1.714     0    0.079   0.867     1.926   72.857   76.720
LGA    L    53_A      L    53_A     2.133     0    0.120   0.208     3.459   61.190   68.155
LGA    L    54_A      L    54_A     2.794     0    0.068   0.151     3.571   59.048   55.476
LGA    S    55_A      S    55_A     2.882     0    0.077   0.079     3.214   60.952   57.302
LGA    N    56_A      N    56_A     1.779     0    0.031   1.168     6.351   72.976   57.798
LGA    D    57_A      D    57_A     1.480     0    0.021   0.136     2.031   77.143   75.060
LGA    E    58_A      E    58_A     1.249     0    0.039   0.596     2.382   83.690   77.725
LGA    V    59_A      V    59_A     1.262     0    0.049   1.056     3.055   81.429   73.469
LGA    T    60_A      T    60_A     0.542     0    0.025   0.154     0.632   92.857   91.837
LGA    I    61_A      I    61_A     0.585     0    0.028   0.060     1.149   92.857   89.405
LGA    K    62_A      K    62_A     0.548     0    0.029   0.098     0.791   90.476   90.476
LGA    Y    63_A      Y    63_A     0.483     0    0.022   0.146     0.541   97.619   96.032
LGA    K    64_A      K    64_A     0.340     0    0.059   0.661     4.596  100.000   77.725
LGA    A    65_A      A    65_A     0.612     0    0.065   0.104     0.906   90.476   90.476
LGA    E    66_A      E    66_A     1.576     0    0.662   1.010     4.865   67.619   59.206
LGA    R    67_A      R    67_A     2.476     0    0.246   1.386    13.737   68.810   32.641
LGA    G    68_A      G    68_A     1.756     0    0.122   0.122     1.808   72.857   72.857
LGA    D    69_A      D    69_A     1.546     0    0.015   1.033     2.469   81.667   75.238
LGA    L    70_A      L    70_A     0.758     0    0.050   1.348     3.157   92.976   81.190
LGA    I    71_A      I    71_A     0.135     0    0.040   0.049     0.637  100.000   97.619
LGA    T    72_A      T    72_A     0.412     0    0.023   0.051     0.767   97.619   94.558
LGA    I    73_A      I    73_A     0.597     0    0.030   0.066     0.854   90.476   90.476
LGA    F    74_A      F    74_A     0.715     0    0.046   0.098     0.737   90.476   90.476
LGA    D    75_A      D    75_A     0.497     0    0.043   0.935     4.165   97.619   78.155
LGA    S    76_A      S    76_A     0.212     0    0.030   0.053     0.496  100.000  100.000
LGA    S    77_A      S    77_A     0.798     0    0.015   0.554     1.293   90.476   88.968
LGA    D    78_A      D    78_A     0.693     0    0.030   0.076     0.840   90.476   90.476
LGA    L    79_A      L    79_A     0.300     0    0.037   1.369     2.867  100.000   85.893
LGA    S    80_A      S    80_A     0.457     0    0.038   0.701     2.248  100.000   92.540
LGA    F    81_A      F    81_A     0.768     0    0.047   0.099     2.303   92.857   78.701
LGA    A    82_A      A    82_A     0.565     0    0.032   0.033     0.744   95.238   94.286
LGA    I    83_A      I    83_A     0.292     0    0.009   0.096     0.684  100.000   97.619
LGA    Q    84_A      Q    84_A     0.360     0    0.024   1.000     5.425  100.000   75.767
LGA    C    85_A      C    85_A     0.241     0    0.185   0.192     1.245   95.357   93.730
LGA    S    86_A      S    86_A     0.555     0    0.588   0.730     3.998   74.643   68.889
LGA    R    87_A      R    87_A     4.066     0    0.494   1.121     8.736   29.524   49.394
LGA    I    88_A      I    88_A     8.349     0    0.038   0.588    10.911    8.690    5.119
LGA    L    89_A      L    89_A    12.674     0    0.058   0.114    18.599    0.000    0.000
LGA    K    90_A      K    90_A    15.195     0    0.045   0.869    17.473    0.000    0.000
LGA    L    91_A      L    91_A    22.301     0    0.040   0.086    25.259    0.000    0.000
LGA    T    92_A      T    92_A    26.802     0    0.023   1.094    30.160    0.000    0.000
LGA    L    93_A      L    93_A    34.257     0    0.074   1.290    37.508    0.000    0.000
LGA    F    94_A      F    94_A    39.622     0    0.039   0.100    42.955    0.000    0.000
LGA    V    95_A      V    95_A    46.893     0    0.020   0.059    50.578    0.000    0.000
LGA    N    96_A      N    96_A    52.203     0    0.082   0.126    56.873    0.000    0.000
LGA    G    97_A      G    97_A    46.824     0    0.032   0.032    48.410    0.000    0.000
LGA    Q    98_A      Q    98_A    43.952     0    0.091   1.056    48.073    0.000    0.000
LGA    P    99_A      P    99_A    37.872     0    0.706   0.630    39.694    0.000    0.000
LGA    R   100_A      R   100_A    41.296     0    0.062   1.198    42.999    0.000    0.000
LGA    P   101_A      P   101_A    43.821     0    0.211   0.212    47.268    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       87     348    348  100.00     706    706  100.00                87
SUMMARY(RMSD_GDC):    12.621         12.684                 12.636           72.927   68.237

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   87    4.0     73    1.23    78.448    78.930     5.481

LGA_LOCAL      RMSD:   1.232  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  14.637  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:  12.621  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.050831 * X  +  -0.779185 * Y  +  -0.624730 * Z  +  -5.791981
  Y_new =   0.713392 * X  +  -0.466095 * Y  +   0.523285 * Z  +  45.820854
  Z_new =  -0.698919 * X  +  -0.419078 * Y  +   0.579556 * Z  +  10.088775 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.641929  0.773886 -0.626063   [DEG:   94.0756   44.3404  -35.8708 ]
ZXZ: -2.268058  0.952613 -2.110928   [DEG: -129.9501   54.5807 -120.9473 ]
 
# END of job
